Latest publications

Fully automated virtual screening pipeline of FDA-approved drugs using Caver Web
Computational and Structural Biotechnology Journal 20: 6512–6518 (2022)
Fusion of two unrelated protein domains in a chimera protein and its 3D prediction: Justification of the x-ray reference structures as a prediction benchmark
Proteins - Structure, Function and Bioinformatics 90 (12): 2067–2079 (2022)
Iterative Landmark-Based Umbrella Sampling (ILBUS) Protocol for Sampling of Conformational Space of Biomolecules
Journal of Chemical Information and Modeling 62 (19): 4783–4798 (2022)